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Compound Detail

CHEMBL2348988

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CCCC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CO

Basic Information

ChEMBL ID CHEMBL2348988
Phase Preclinical
Structure Type MOL
InChI Key ZZZPWWNFIKSYKY-RLCMYXLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.81
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34O3
MW 382.54
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.53

Literature References

PubMed DOI Target Context # Activities
23498916 10.1016/j.bmc.2013.02.009 Glucocorticoid receptor 1
23498916 10.1016/j.bmc.2013.02.009 C2C12 1
23498916 10.1016/j.bmc.2013.02.009 Unchecked 1

Data from ChEMBL 36 via Core Engine